Dataset

Chlortetracycline

This MassBank record with Accession MSBNK-Waters-WA001821 contains the MS mass spectrum of Chlortetracycline with the InChIkey CYDMQBQPVICBEU-XRNKAMNCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1
SMILES NC(=O)C(=C(O)4)C(=O)C(O)(C(O)=1)C([H])(C(N(C)C)4)CC([H])(C(C)(O)2)C(C(=O)c(c(O)3)c(c(Cl)cc3)2)1
InChI Key CYDMQBQPVICBEU-XRNKAMNCSA-N
Molecular Formula C22H23ClN2O8
Exact Mass 478.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001821
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:39:13.556699
MetadataModified 2025-02-09T20:22:03.350857
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CTC PDBe
C06571 KEGG Ligand
J4.583G Nikkaji
HY-B1327A MedChemExpress
CHLORTETRACYCLINE clinicaltrials
CHLORTETRACYCLINE HYDROCHLORIDE rxnorm
CHLORTETRACYCLINE CALCIUM rxnorm
CHLORTETRACYCLINE rxnorm
DB09093 DrugBank
27644 ChEBI
624 DrugCentral
LMPK07000004 LipidMaps
DTXSID9022811 EPA CompTox Dashboard
MCULE-9900766267 Mcule
CB5408663 ChemicalBook
8065 Brenda
MTBLC27644 Metabolights
92904 Brenda
20190 Brenda
ZINC000019701769 ZINC
15479653 PubChem: Thomson Pharma
SCHEMBL3110 SureChEMBL
WCK1KIQ23Q FDA SRS
CHEMBL404520 ChEMBL
PD009058 ProbesDrugs
3715807 eMolecules
The data in this table is sourced from UniChem at EBI.